ChemSpider 2D Image | 2-[8-(1-Azepanyl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide | C21H23N7O3S

2-[8-(1-Azepanyl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide

  • Molecular FormulaC21H23N7O3S
  • Average mass453.517 Da
  • Monoisotopic mass453.158295 Da
  • ChemSpider ID22948533

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[8-(1-Azepanyl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-[8-(1-Azepanyl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-[8-(1-Azépanyl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
Thiazolo[5,4-e]-1,2,4-triazolo[4,3-c]pyrimidine-2(3H)-acetamide, 8-(hexahydro-1H-azepin-1-yl)-N-(4-methoxyphenyl)-3-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.48
ACD/KOC (pH 5.5): 153.63
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.91
ACD/KOC (pH 7.4): 179.60
Polar Surface Area: 131 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 293.7±7.0 cm3

Click to predict properties on the Chemicalize site


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